SCHEMBL26199693

SCHEMBL26199693

CC(C)CCOCCOCCOCCC(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
CA1 P00915 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16077020 0.98 TDP1 (0.46) TDP1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL17908742 0.89 LMNA (0.50) TDP1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL17908770 0.89 LMNA (0.50) TDP1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL17908841 0.89 LMNA (0.50) TDP1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL25868407 0.85 TDP1 (0.57) TDP1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL26199739 0.82 LMNA (0.50) LMNAALDH1A1HSD17B10HTTTSHR
SCHEMBL26199851 0.82 LMNA (0.46) LMNAALDH1A1HSD17B10HTTTSHR
SCHEMBL16467061 0.80 TDP1 (0.47) TDP1ALDH1A1HSD17B10KDM4ECA1
SCHEMBL10404989 0.80 LMNA (0.57) TDP1LMNAALDH1A1HSD17B10HTT
SCHEMBL131802 0.79 LMNA (0.54) TDP1LMNAALDH1A1HTTCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed